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Vibrational Analysis of Paraelectric–Ferroelectric Transition of LiNbO 3 : An Ab-Initio Quantum Mechanical Treatment.
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- Symmetry (20738994), 2021, v. 13, n. 9, p. 1650, doi. 10.3390/sym13091650
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Insights into Two Novel Orthopalladated Chromophores with Antimicrobial Activity against Escherichia coli.
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- Molecules, 2022, v. 27, n. 18, p. 6060, doi. 10.3390/molecules27186060
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- Article
Thermo-Induced Fluorochromism in Two AIE Zinc Complexes: A Deep Insight into the Structure-Property Relationship.
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- Molecules, 2022, v. 27, n. 8, p. N.PAG, doi. 10.3390/molecules27082551
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- Article
A Novel L-Shaped Fluorescent Probe for AIE Sensing of Zinc (II) Ion by a DR/NIR Response.
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- Molecules, 2021, v. 26, n. 23, p. 7347, doi. 10.3390/molecules26237347
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- Article
How deeply are core electrons perturbed when valence electrons are spin polarized? The case study of transition metal compounds.
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- Journal of Computational Chemistry, 2023, v. 44, n. 2, p. 65, doi. 10.1002/jcc.27015
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- Article
Strategies for the optimization of the structure of crystalline compounds.
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- Journal of Computational Chemistry, 2022, v. 43, n. 3, p. 184, doi. 10.1002/jcc.26781
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- Article
Interstitial carbon defects in silicon. A quantum mechanical characterization through the infrared and Raman spectra.
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- Journal of Computational Chemistry, 2021, v. 42, n. 12, p. 806, doi. 10.1002/jcc.26500
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- Article
Hydrogen, boron and nitrogen atoms in diamond: a quantum mechanical vibrational analysis.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 11, p. 1, doi. 10.1007/s00214-018-2375-0
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- Article
A DR/NIR Hybrid Polymeric Tool for Functional Bio-Coatings: Theoretical Study, Cytotoxicity, and Antimicrobial Activity.
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- Polymers (20734360), 2023, v. 15, n. 4, p. 883, doi. 10.3390/polym15040883
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- Article
AIEgen orthopalladated hybrid polymers for efficient inactivation of the total coliforms in urban wastewater.
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- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-41315-x
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- Article